UCSF

ZINC09375252

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 27 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.89 9.42 -40.59 0 5 -1 70 476.29 6
Mid Mid (pH 6-8) 4.34 8.27 -24.39 1 5 0 67 477.298 5
Mid Mid (pH 6-8) 3.31 9.24 -17.11 0 5 0 64 477.298 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )